input word = C00053397

Metabolite InformationStructural formula
Name Karavoate J
Formula C45H58N2O9
Mw 770.41423147
CAS RN 1269766-62-2
C_ID C00053397
InChIKey JIOLTRNVUAVONZ-NFFVQEDESA-N
InChICode InChI=1S/C45H58N2O9/c1-27(2)24-33(55-40(48)29-10-14-31(15-11-29)46(50)51)25-28(3)34-20-21-45(8)39-37(54-9)26-36-35(43(39,6)22-23-44(34,45)7)18-19-38(42(36,4)5)56-41(49)30-12-16-32(17-13-30)47(52)53/h10-17,24,26,28,33-35,37-39H,18-23,25H2,1-9H3/t28-,33+,34-,35-,37+,38+,39-,43+,44-,45+/m1/s1
SMILES CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@@]3(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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